pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.19	AttenGpKa training set	1	0	Nc1ccc(-c2ccc([NH3+])cc2Br)c(Br)c1	Nc1ccc(-c2ccc(N)cc2Br)c(Br)c1	mol24209	Nc1ccc(-c2ccc(N)cc2Br)c(Br)c1